4-bromo-N-(2-oxopropyl)benzamide

C10H10BrNO2 — CID 64997331

IUPAC4-bromo-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c1-7(13)6-12-10(14)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14)
InChIKeyUFHRJRFXZJJXPB-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.77
Rot. Bonds3

About 4-bromo-N-(2-oxopropyl)benzamide

4-bromo-N-(2-oxopropyl)benzamide (PubChem CID 64997331) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 4-bromo-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-oxopropyl)benzamide
PubChem CID64997331
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name4-bromo-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c1-7(13)6-12-10(14)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14)
InChIKeyUFHRJRFXZJJXPB-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide
CID 70857142
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-bromo-N-(chloromethyl)benzamide
CID 29079018
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
(2R)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 79009373
4-bromo-N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104868922
4-bromo-N-pentylbenzamide
CID 4167913

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-oxopropyl)benzamide?
The IUPAC name of 4-bromo-N-(2-oxopropyl)benzamide (CID 64997331) is 4-bromo-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-oxopropyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-oxopropyl)benzamide?
The InChIKey is UFHRJRFXZJJXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-7(13)6-12-10(14)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of 4-bromo-N-(2-oxopropyl)benzamide?
4-bromo-N-(2-oxopropyl)benzamide has a molecular weight of 256.10 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 64997331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).